1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one

C10H11N3O — CID 154150540

IUPAC1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one
SMILESO=c1ccc2c([nH]1)CC1NCNC1=C2
InChIInChI=1S/C10H11N3O/c14-10-2-1-6-3-8-9(12-5-11-8)4-7(6)13-10/h1-3,9,11-12H,4-5H2,(H,13,14)
InChIKeyKMEKZCYRZYPWHZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP-0.21
Rot. Bonds

About 1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one

1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one (PubChem CID 154150540) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one
PubChem CID154150540
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one
SMILESO=c1ccc2c([nH]1)CC1NCNC1=C2
InChIInChI=1S/C10H11N3O/c14-10-2-1-6-3-8-9(12-5-11-8)4-7(6)13-10/h1-3,9,11-12H,4-5H2,(H,13,14)
InChIKeyKMEKZCYRZYPWHZ-UHFFFAOYSA-N
XLogP-0.21
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;tris(yttrium)
CID 57973955
9-(methylamino)-3,8,9,10-tetrahydro-1H-imidazo[4,5-i]quinolin-2-one
CID 69743478
(10aR)-9-(methylamino)-3,8,9,10-tetrahydro-1H-imidazo[4,5-i]quinolin-2-one
CID 69743480
N-(2,3,3a,7a-tetrahydro-1H-benzimidazol-4-yl)acetamide
CID 69987381
2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide;hydrochloride
CID 70369714
8,11,13-Triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione
CID 87581944
2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide;trihydrochloride
CID 140995615
2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide
CID 140995616
2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide;dihydrochloride
CID 140995619
2,3,3a,4,5,5a-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
CID 141124843
4-(1-Methyl-6-oxo-2-pyridinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 141503572
2,3-di(phenyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one;bis(yttrium)
CID 145493134

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one?
The IUPAC name of 1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one (CID 154150540) is 1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one.
What is the SMILES notation for 1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one?
The canonical SMILES for 1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one is O=c1ccc2c([nH]1)CC1NCNC1=C2.
What is the InChIKey of 1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one?
The InChIKey is KMEKZCYRZYPWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-10-2-1-6-3-8-9(12-5-11-8)4-7(6)13-10/h1-3,9,11-12H,4-5H2,(H,13,14).
What are the key properties of 1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one?
1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one has a molecular weight of 189.22 g/mol, XLogP of -0.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5-hexahydroimidazo[4,5-g]quinolin-6-one is sourced from PubChem (CID 154150540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).